methyl 4-[[[4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[[4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[[4-(4-ethoxyanilino)-4-oxo-butanoyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[4-(4-ethoxyanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[[4-(4-ethoxyanilino)-4-oxobutanoyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[[4-keto-4-(p-phenetidino)butanoyl]amino]thiocarbamoylamino]butyric acid methyl ester Formula: C18H24N4O6S MolecularWeight: 424.47136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)CCC(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)CCC(=O)OC

InChI

InChI=1S/C18H24N4O6S/c1-3-28-13-6-4-12(5-7-13)19-14(23)8-9-16(25)21-22-18(29)20-15(24)10-11-17(26)27-2/h4-7H,3,8-11H2,1-2H3,(H,19,23)(H,21,25)(H2,20,22,24,29)